6-[(1S)-1-azanylethyl]-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[2-(azepan-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[2-(1-azepanyl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-[2-(azepan-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-[2-(azepan-1-yl)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCCC3)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCCC3)N

InChI

InChI=1S/C18H25N3O3/c1-13(19)14-6-7-16-15(10-14)21(18(23)12-24-16)11-17(22)20-8-4-2-3-5-9-20/h6-7,10,13H,2-5,8-9,11-12,19H2,1H3/t13-/m0/s1